5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H9ClN4OS — CID 107780821

IUPAC5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1occc1Sc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H9ClN4OS/c1-6-9(12)15-11-13-5-14-16(11)10(6)18-8-3-4-17-7(8)2/h3-5H,1-2H3
InChIKeyRHEIMQJDRRBBAG-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.14
Rot. Bonds2

About 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 107780821) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID107780821
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1occc1Sc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H9ClN4OS/c1-6-9(12)15-11-13-5-14-16(11)10(6)18-8-3-4-17-7(8)2/h3-5H,1-2H3
InChIKeyRHEIMQJDRRBBAG-UHFFFAOYSA-N
XLogP3.14
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 103077092
5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048
5-chloro-7-(2,5-dimethylpyrazol-3-yl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077094
5-chloro-6-methyl-7-(7H-purin-6-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077091
5-chloro-6-methyl-7-pentylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107751048
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 103077103
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-diethylethanamine
CID 103077116
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075883
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5-chloro-6-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076067
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 107780821) is 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1occc1Sc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RHEIMQJDRRBBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c1-6-9(12)15-11-13-5-14-16(11)10(6)18-8-3-4-17-7(8)2/h3-5H,1-2H3.
What are the key properties of 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 280.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-7-(2-methylfuran-3-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 107780821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).